Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20999947 | 1.00 | CYP2D6 (0.41) | CYP2D6EPHX1LTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL7389974 | 0.88 | ALDH1A1 (0.47) | CYP2D6EPHX1LTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL30775639 | 0.83 | TSHR (0.43) | CYP2D6EPHX1ALDH1A1CA12CA1 | |
| SCHEMBL4619210 | 0.80 | LTA4H (0.47) | CYP2D6EPHX1LTA4HCA12CA1 | |
| SCHEMBL4620202 | 0.80 | LTA4H (0.47) | CYP2D6EPHX1LTA4HCA12CA1 | |
| SCHEMBL4620196 | 0.80 | LTA4H (0.47) | CYP2D6EPHX1LTA4HCA12CA1 | |
| SCHEMBL22413011 | 0.78 | LTA4H (0.44) | CYP2D6EPHX1LTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL22413014 | 0.78 | LTA4H (0.44) | CYP2D6EPHX1LTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL6138081 | 0.77 | HPGD (0.46) | EPHX1LTA4HALDH1A1SMN1; SMN2EPHX2 | |
| SCHEMBL6138080 | 0.77 | HPGD (0.46) | EPHX1LTA4HALDH1A1SMN1; SMN2EPHX2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117177744-A | CDK2 inhibitors and methods of use thereof | 塞迪拉治疗股份有限公司 | 2023-12-05 | — | — | CN | disclosed |